Abstract
The sol–gel process that occurs in a mixture of titanium butoxide and concentrated hydrochloric acid was studied using 35Cl nuclear magnetic resonance (35Cl-NMR) spectroscopy. Density functional theory (DFT) calculations with long-range corrections were also employed to calculate absolute shielding values (σ) to characterize the NMR spectrum. Two isomeric 5-coordinate water adducts of Ti[O(CH2)3CH3]3Cl·H2O, which were predicted by Gibbs free energy calculations using DFT, were determined as the main products in the mixture.
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